[(2R,3S)-2-(hydroxymethyl)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol

C15H20N2O2S2 — CID 164632402

IUPAC[(2R,3S)-2-(hydroxymethyl)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
SMILESOC[C@H]1CCCN(Cc2csc(-c3ccsc3)n2)[C@H]1CO
InChIInChI=1S/C15H20N2O2S2/c18-7-11-2-1-4-17(14(11)8-19)6-13-10-21-15(16-13)12-3-5-20-9-12/h3,5,9-11,14,18-19H,1-2,4,6-8H2/t11-,14+/m1/s1
InChIKeyQSOSCICWXNVPPC-RISCZKNCSA-N
MW324.47 g/mol
LogP2.44
Rot. Bonds5

About [(2R,3S)-2-(hydroxymethyl)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol

[(2R,3S)-2-(hydroxymethyl)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol (PubChem CID 164632402) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is [(2R,3S)-2-(hydroxymethyl)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-2-(hydroxymethyl)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
PubChem CID164632402
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name[(2R,3S)-2-(hydroxymethyl)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
SMILESOC[C@H]1CCCN(Cc2csc(-c3ccsc3)n2)[C@H]1CO
InChIInChI=1S/C15H20N2O2S2/c18-7-11-2-1-4-17(14(11)8-19)6-13-10-21-15(16-13)12-3-5-20-9-12/h3,5,9-11,14,18-19H,1-2,4,6-8H2/t11-,14+/m1/s1
InChIKeyQSOSCICWXNVPPC-RISCZKNCSA-N
XLogP2.44
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S,3R)-2-(hydroxymethyl)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
CID 138038005
[(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 62734410
(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119913874
1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 53498925
2-thiophen-3-yl-4-[[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 31313736
1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol
CID 55130969
4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole
CID 81222713
4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid
CID 114426304
(2S,3aS,7aS)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125148477
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-2-thiophen-3-yl-1,3-thiazole
CID 60916712
4-[[4-(bromomethyl)triazol-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 55071920
4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 80703386

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-(hydroxymethyl)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [(2R,3S)-2-(hydroxymethyl)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol (CID 164632402) is [(2R,3S)-2-(hydroxymethyl)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(2R,3S)-2-(hydroxymethyl)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(2R,3S)-2-(hydroxymethyl)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol is OC[C@H]1CCCN(Cc2csc(-c3ccsc3)n2)[C@H]1CO.
What is the InChIKey of [(2R,3S)-2-(hydroxymethyl)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is QSOSCICWXNVPPC-RISCZKNCSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c18-7-11-2-1-4-17(14(11)8-19)6-13-10-21-15(16-13)12-3-5-20-9-12/h3,5,9-11,14,18-19H,1-2,4,6-8H2/t11-,14+/m1/s1.
What are the key properties of [(2R,3S)-2-(hydroxymethyl)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
[(2R,3S)-2-(hydroxymethyl)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 324.47 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-(hydroxymethyl)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 164632402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).